A317491 [Ligand Id: 4115] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL596234 (A-317491)
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
P2X3/P2X2/P2X2/P2X3 heterotrimeric receptor in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3831281] [GtoPdb: 480, 479] [UniProtKB: P56373, Q9UBL9]
ChEMBL Antagonist activity at human P2X2/3 expressed in human1321N1 cells assessed as inhibition of alpha,beta-methylene-ATP-stimulated Ca2+ influx preincubated for 3 mins followed by alpha,beta-methylene-ATP addition measured after 3 mins by Fluo-4 assay B 8.05 pKi 9 nM Ki Bioorg Med Chem Lett (2016) 26: 3896-3904 [PMID:27423478]
GtoPdb - - 7.5 pIC50 ~31 nM IC50 Proc Natl Acad Sci USA (2002) 99: 17179-84 [PMID:12482951]
P2X3/P2X purinoceptor 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2998] [GtoPdb: 480] [UniProtKB: P56373]
ChEMBL Antagonist activity at human recombinant P2X3 receptor expressed in HEK293-Tet-on cells assessed as alpha,beta-methylene-ATP-stimulated Ca2+ influx by Fluo-4 assay B 6.66 pIC50 220 nM IC50 Bioorg Med Chem Lett (2016) 26: 3896-3904 [PMID:27423478]
ChEMBL Antagonist activity at recombinant human P2X3 receptor transfected in human 1321N1 cells assessed as inhibition of alpha, beta me-ATP-induced current by whole-cell patch-clamp method B 7.01 pIC50 97 nM IC50 Eur J Med Chem (2013) 70: 811-830 [PMID:24246730]
ChEMBL Antagonist activity at human P2X3 receptor expressed in C6-BU-1 cells assessed as inhibition of calcium flux after 1 hr by Fluo-3AM dye based FLIPR assay B 7.04 pIC50 92 nM IC50 Bioorg Med Chem Lett (2018) 28: 2338-2342 [PMID:29805055]
ChEMBL Antagonist activity at recombinant human P2X3 receptor expressed in Xenopus oocytes assessed as inhibition of ATP-induced ion current preincubated for 20 mins followed by ATP addition by two-electrode voltage clamp assay B 7.46 pIC50 35 nM IC50 Eur J Med Chem (2013) 70: 811-830 [PMID:24246730]
GtoPdb - - 7.5 pIC50 ~31 nM IC50 Proc Natl Acad Sci USA (2002) 99: 17179-84 [PMID:12482951]

ChEMBL data shown on this page come from version 32:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]